CID 3074038

154663-22-6

Structural Information

Molecular Formula
C19H27N5O4S
SMILES
CC1CN(CCN1C2=NN=C(S2)C3=CC(=C(C(=C3)OC)OC)OC)CCC(=O)N
InChI
InChI=1S/C19H27N5O4S/c1-12-11-23(6-5-16(20)25)7-8-24(12)19-22-21-18(29-19)13-9-14(26-2)17(28-4)15(10-13)27-3/h9-10,12H,5-8,11H2,1-4H3,(H2,20,25)
InChIKey
FJCDZCIJDTXIGL-UHFFFAOYSA-N
Compound name
3-[3-methyl-4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.17838 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18566 199.9
[M+Na]+ 444.16760 206.5
[M-H]- 420.17110 204.3
[M+NH4]+ 439.21220 206.6
[M+K]+ 460.14154 202.0
[M+H-H2O]+ 404.17564 189.7
[M+HCOO]- 466.17658 210.6
[M+CH3COO]- 480.19223 228.2
[M+Na-2H]- 442.15305 194.6
[M]+ 421.17783 204.0
[M]- 421.17893 204.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.